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Kpt boundaries for cubic supercell
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3
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321
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October 11, 2023
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Hostfile to run abinit mpirun -np 32 -hostfile hosts ./abinit
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1
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100
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October 10, 2023
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How to interpret the warning "does not exist but found netcdf file with similar name."
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1
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77
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October 6, 2023
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Crash while calculating non-linear optical response
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9
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169
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October 4, 2023
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NLO tutorial broken
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16
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168
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October 3, 2023
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Visualizing spin dynamics from .nc (NetCDF) files generated by multibinit
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0
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63
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October 3, 2023
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Multibinit spin dynamics does not run in parallel on more than 1 CPU cores
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11
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128
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October 3, 2023
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Band structure calculation using Hybrid Functionals
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0
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161
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September 26, 2023
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Question about default parameters
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0
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62
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September 26, 2023
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Crash with DFPT chi2 calculation
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1
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104
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September 25, 2023
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Finite difference non-linear susceptibility gives zero
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3
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152
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September 25, 2023
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Hybrids-Defects & coulomb cuttoff
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0
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107
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September 20, 2023
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Getshell: BUG - The calculated weights do not solve the linear system for all k-points
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2
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101
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September 4, 2023
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Crash with PEAD NLO calculation
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0
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107
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August 28, 2023
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Constrained relaxation, relax layers rigidly
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2
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143
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August 19, 2023
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Crash while performing positron calculation with larger vacancy
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2
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146
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August 19, 2023
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Nonlinear susceptibility calculated by HSE06
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2
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168
|
August 13, 2023
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Ctqmc_setSweeps : sweeps is negative or too big
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9
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109
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July 29, 2023
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DFPT_CGWF WARNING : d2edt2 is zero, skipping update
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4
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245
|
July 29, 2023
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Piezoelectric tensor
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15
|
380
|
July 29, 2023
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Non-linear susceptibility
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0
|
129
|
July 28, 2023
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Choosing appropriate number of Matsubara frequency for spectral function
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10
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213
|
July 24, 2023
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Memory problem in positron Doppler broadening calculation
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2
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205
|
July 23, 2023
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How do I get the same orientation of the lattice?
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6
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231
|
July 24, 2023
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The paw pseudopotential calculation for nonlinear properties does not converge
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1
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208
|
July 20, 2023
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Need lifetimes in electron-phonon tutorial for BoltzTraP2 code
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0
|
159
|
July 19, 2023
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Electron density of the Kohn-Sham states at specific k-points in the band structure
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4
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215
|
July 17, 2023
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_OPT file is not generated for conducti
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13
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194
|
July 13, 2023
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Kptbounds coordinates for special points K and M for an fcc (111) hexagonal face
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1
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248
|
July 13, 2023
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Question regarding DMFT tutorial on SrVO3
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5
|
159
|
July 12, 2023
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